| SpectraBase Spectrum ID |
1bDcQU7rby |
| Name |
Terephthalic acid, cis-4-tert-butylcyclohexyl pentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.245709571 u |
| Formula |
C23H34O4 |
| InChI |
InChI=1S/C23H34O4/c1-5-6-7-16-26-21(24)17-8-10-18(11-9-17)22(25)27-20-14-12-19(13-15-20)23(2,3)4/h8-11,19-20H,5-7,12-16H2,1-4H3 |
| InChIKey |
JMHMEGMUSYRHRK-UHFFFAOYSA-N |
| Molecular Weight |
374.521 g/mol |
| SMILES |
C1(CCC(CC1)C(C)(C)C)OC(C1=CC=C(C=C1)C(OCCCCC)=O)=O |
